CLOFENTEZINE

/static/temp/default.svg Search structure
UNII JS4U0R0033
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key UXADOQPNKNTIHB-UHFFFAOYSA-N
Smiles Clc1ccccc1c2nnc(nn2)c3ccccc3Cl
InChI
InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H8Cl2N4
Molecular Weight 303.15
AlogP 4.21
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 51.56
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 20.0
Assay Description Organism Bioactivity Reference
Resistant ratio, LC50 for Tetranychus urticae FPY 14 (two-spotted spider mite) to LC50 for Tetranychus urticae GSS Tetranychus urticae 4.78
Insecticidal activity against Tetranychus urticae FPY 14 (two-spotted spider mite) assessed as mortality at 26 +/- 2 degC with 60 +/- 5% RH for first 24 hr Tetranychus urticae 68.52 mgAi/L
Insecticidal activity against Tetranychus urticae GSS (two-spotted spider mite) assessed as mortality at 26 +/- 2 degC with 60 +/- 5% RH for first 24 hr Tetranychus urticae 14.32 mgAi/L
Toxicity against worker Bombus terrestris (bumblebee) assessed as reduction in reproduction at 150 mg a.i./l, po administered through pollen for 11 weeks measured once a week for 11 weeks Bombus terrestris 50.0 %
Contact toxicity against worker Bombus terrestris (bumblebee) assessed as reduction in reproduction at 150 mg a.i./l applied on the dorsal thorax for 11 weeks measured once a week for 11 weeks relative to control Bombus terrestris None
Toxicity against worker Bombus terrestris (bumblebee) assessed as mortality at 150 mg a.i./l, po administered through pollen for 11 weeks measured everyday for 3 days followed by once a week for 11 weeks Bombus terrestris None
Toxicity against worker Bombus terrestris (bumblebee) assessed as mortality at 150 mg a.i./l, po administered through sugar water for 11 weeks measured everyday for 3 days followed by once a week for 11 weeks Bombus terrestris 50.0 %
Contact toxicity against worker Bombus terrestris (bumblebee) assessed as mortality at 150 mg a.i./l applied on the dorsal thorax for 11 weeks measured everyday for 3 days followed by once a week for 11 weeks Bombus terrestris 25.0 %
Resistance ratio, LC50 for adult Panonychus ulmi HS to LC50 for adult Panonychus ulmi GE 16/09 Panonychus ulmi 3900.0
Resistance ratio, LC50 for larvae Panonychus ulmi HS to LC50 for larvae Panonychus ulmi PSR TK Panonychus ulmi 1800.0
Resistance ratio, LC50 for egg Panonychus ulmi HS to LC50 for egg Panonychus ulmi PSR TK Panonychus ulmi 160.0
Insecticidal activity against Panonychus ulmi PSR-TK in plum tree leaf assessed as mortality at egg stage compound treated by spray application measured after 7 to 8 days treatment Panonychus ulmi 10000.0 ug.mL-1
Insecticidal activity against Panonychus ulmi PSR-TK in plum tree leaf assessed as mortality at larvae stage compound treated by spray application measured after 7 to 8 days treatment Panonychus ulmi 10000.0 ug.mL-1
Insecticidal activity against Panonychus ulmi HS in plum tree leaf assessed as egg mortality compound treated by spray application measured after 7 to 8 days treatment Panonychus ulmi 61.3 ug.mL-1
Insecticidal activity against Panonychus ulmi HS in plum tree leaf assessed as larvae mortality compound treated by spray application measured after 7 to 8 days treatment Panonychus ulmi 5.53 ug.mL-1

Cross References

Resources Reference
ChEMBL CHEMBL17888
FDA SRS JS4U0R0033
PubChem 73670
SureChEMBL SCHEMBL74002
ZINC ZINC00403224
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